N-(2,2-difluoroethyl)-5-methyl-1-piperidin-4-yl-N-propyltriazole-4-carboxamide

C14H23F2N5O — CID 119764092

IUPACN-(2,2-difluoroethyl)-5-methyl-1-piperidin-4-yl-N-propyltriazole-4-carboxamide
SMILESCCCN(CC(F)F)C(=O)c1nnn(C2CCNCC2)c1C
InChIInChI=1S/C14H23F2N5O/c1-3-8-20(9-12(15)16)14(22)13-10(2)21(19-18-13)11-4-6-17-7-5-11/h11-12,17H,3-9H2,1-2H3
InChIKeyHRPOMZHVHRTZOS-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.63
Rot. Bonds6

About N-(2,2-difluoroethyl)-5-methyl-1-piperidin-4-yl-N-propyltriazole-4-carboxamide

N-(2,2-difluoroethyl)-5-methyl-1-piperidin-4-yl-N-propyltriazole-4-carboxamide (PubChem CID 119764092) has the molecular formula C14H23F2N5O and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-methyl-1-piperidin-4-yl-N-propyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-methyl-1-piperidin-4-yl-N-propyltriazole-4-carboxamide
PubChem CID119764092
Molecular FormulaC14H23F2N5O
Molecular Weight315.37 g/mol
Exact Mass315.19
IUPAC NameN-(2,2-difluoroethyl)-5-methyl-1-piperidin-4-yl-N-propyltriazole-4-carboxamide
SMILESCCCN(CC(F)F)C(=O)c1nnn(C2CCNCC2)c1C
InChIInChI=1S/C14H23F2N5O/c1-3-8-20(9-12(15)16)14(22)13-10(2)21(19-18-13)11-4-6-17-7-5-11/h11-12,17H,3-9H2,1-2H3
InChIKeyHRPOMZHVHRTZOS-UHFFFAOYSA-N
XLogP1.63
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-methyl-1-piperidin-4-yl-N-propyltriazole-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-5-methyl-1-piperidin-4-yl-N-propyltriazole-4-carboxamide (CID 119764092) is N-(2,2-difluoroethyl)-5-methyl-1-piperidin-4-yl-N-propyltriazole-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-methyl-1-piperidin-4-yl-N-propyltriazole-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-5-methyl-1-piperidin-4-yl-N-propyltriazole-4-carboxamide is CCCN(CC(F)F)C(=O)c1nnn(C2CCNCC2)c1C.
What is the InChIKey of N-(2,2-difluoroethyl)-5-methyl-1-piperidin-4-yl-N-propyltriazole-4-carboxamide?
The InChIKey is HRPOMZHVHRTZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N5O/c1-3-8-20(9-12(15)16)14(22)13-10(2)21(19-18-13)11-4-6-17-7-5-11/h11-12,17H,3-9H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-5-methyl-1-piperidin-4-yl-N-propyltriazole-4-carboxamide?
N-(2,2-difluoroethyl)-5-methyl-1-piperidin-4-yl-N-propyltriazole-4-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-methyl-1-piperidin-4-yl-N-propyltriazole-4-carboxamide is sourced from PubChem (CID 119764092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).